ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012177
RECORD_TITLE: METHYLCYCLOHEXANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: CAS 108-87-2
CH$LINK: INCHIKEY UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047749

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0002-9000000000-e4f4d3639f927ed511c3
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  57 16.28 163
  83 18.34 183
  84 1.18 12
  97 99.99 999
  98 11.66 117
  99 1.88 19
//